CID 9628572

3-((2-bromophenoxy)me)-n'-(1-(3-(1h-tetraazol-1-yl)ph)ethylidene)benzohydrazide

Structural Information

Molecular Formula
C23H19BrN6O2
SMILES
C/C(=N\NC(=O)C1=CC=CC(=C1)COC2=CC=CC=C2Br)/C3=CC(=CC=C3)N4C=NN=N4
InChI
InChI=1S/C23H19BrN6O2/c1-16(18-7-5-9-20(13-18)30-15-25-28-29-30)26-27-23(31)19-8-4-6-17(12-19)14-32-22-11-3-2-10-21(22)24/h2-13,15H,14H2,1H3,(H,27,31)/b26-16+
InChIKey
QDIUBDKBNSVZEL-WGOQTCKBSA-N
Compound name
3-[(2-bromophenoxy)methyl]-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.0753 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.08258 202.2
[M+Na]+ 513.06452 210.0
[M-H]- 489.06802 213.3
[M+NH4]+ 508.10912 208.9
[M+K]+ 529.03846 197.3
[M+H-H2O]+ 473.07256 195.9
[M+HCOO]- 535.07350 221.1
[M+CH3COO]- 549.08915 211.8
[M+Na-2H]- 511.04997 206.4
[M]+ 490.07475 221.6
[M]- 490.07585 221.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.